Berlin 2018 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 20: Poster Session I

CPP 20.39: Poster

Montag, 12. März 2018, 17:30–19:30, Poster A

Tuning and Suppressing the Conduction of Ionic Liquids by Confinement in Nanoporous Metal-Organic Frameworks — Anemar Bruno Kanj¹, Rupal Verma¹, •Modan Liu², Wolfgang Wenzel², and Lars Heinke¹ — ¹Karlsruhe Institute of Technology (KIT), Institute of Functional Interfaces (IFG) — ²Karlsruhe Institute of Technology (KIT), Institute of Nanotechnology (INT)

Ionic liquids (IL) are room-temperature molten organic salts and metal-organic frameworks (MOFs) are nanoporous functional-material platforms compound of metal ions and organic linkers. The composite of both IL and MOF is intriguing and has huge potentials for nanoscale electronic devices as batteries or sensors.

IL embedded in MOFs is known to have properties deviating from bulk phase solution. Experiment shows molar conductivity of IL can see a drastic 3-orders-of-magnitude drop with respect to bulk phase conductivity when heavily loaded into the MOF, filling MOF pores.

Here, employing molecular dynamics (MD) simulations we investigate molar conductivity with various loading factors of [BMIM][NTf2] in HKUST-1. Result suggests dedicated and homogeneous flows of cation and anions are formed when bulk-phase solution is exposed external electric field, whereas, embedded in HKUST-1, cations and anions are forced to share channels inside MOF. Increasing loading of IL, mobility of ions becomes hindered as the aperture between MOF pores limits the flow. With higher loading, transient jamming and eventually a jammed layer of IL is formed, leading to the drastic drop in molar conductivity. Statistics of MD confirm measurements from experiment.